2-[4-(trifluoromethyl)phenyl]ethane-1-thiol | 1267391-25-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[4-(trifluoromethyl)phenyl]ethane-1-thiol
• 英文别名: 2-[4-(Trifluoromethyl)phenyl]ethanethiol；2-[4-(trifluoromethyl)phenyl]ethanethiol
• CAS: 1267391-25-2
• 化学式: C₉H₉F₃S
• 分子量: 206.232
• InChiKey: XOUJJGJCEGTNQU-UHFFFAOYSA-N

物化性质

• 沸点：
  226.6±40.0 °C(Predicted)
• 密度：
  1.214±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[4-(trifluoromethyl)phenyl]ethane-1-thiol 在 叔丁基过氧化氢 、 庚二酸 、 碘 、 四丁基碘化铵 、 C₁₈H₃₄N₂*C₂HF₆NO₄S₂ 、 silver carbonate 作用下， 以 甲醇 、 癸烷 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 48.0h， 生成 C₁₆H₁₉F₃O₃S
  参考文献：
  名称：

  用二硫化物试剂催化不对称 α-烷基亚磺酰化

  摘要：

  开发了一种基于二硫化物的烷硫基转移试剂，用于酮和醛的不对称 α-烷基亚磺酰化，与伯胺有机催化结合时表现出良好的活性和立体选择性。

  DOI：

  10.1002/anie.202209044
• 作为产物：
  描述：

  对三氟甲基苯乙基溴 在 硫脲 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 16.33h， 生成 2-[4-(trifluoromethyl)phenyl]ethane-1-thiol
  参考文献：
  名称：

  用二硫化物试剂催化不对称 α-烷基亚磺酰化

  摘要：

  开发了一种基于二硫化物的烷硫基转移试剂，用于酮和醛的不对称 α-烷基亚磺酰化，与伯胺有机催化结合时表现出良好的活性和立体选择性。

  DOI：

  10.1002/anie.202209044

文献信息

• Inhibition of monoamine oxidase by 8-[(phenylethyl)sulfanyl]caffeine analogues
  作者：Samantha Mostert、Wayne Mentz、Anél Petzer、Jacobus J. Bergh、Jacobus P. Petzer

  DOI：10.1016/j.bmc.2012.10.005

  日期：2012.12

  In a previous study we have investigated the monoamine oxidase (MAO) inhibitory properties of a series of 8-sulfanylcaffeine analogues. Among the compounds studied, 8-[(phenylethyl) sulfanyl] caffeine (IC50 = 0.223 mu M) was found to be a particularly potent inhibitor of the type B MAO isoform. In an attempt to discover potent MAO inhibitors and to further examine the structure-activity relationships (SAR) of MAO inhibition by 8-sulfanylcaffeine analogues, in the present study a series of 8-[(phenylethyl)sulfanyl] caffeine analogues were synthesized and evaluated as inhibitors of human MAO-A and -B. The results document that substitution on C3 and C4 of the phenyl ring with alkyl groups and halogens yields 8-[( phenylethyl) sulfanyl] caffeine analogues which are potent and selective MAO-B inhibitors with IC50 values ranging from 0.017 to 0.125 mu M. The MAO inhibitory properties of a series of 8-sulfinylcaffeine analogues were also examined. The results show that, compared to the corresponding 8-sulfanylcaffeine analogues, the 8-sulfinylcaffeins are weaker MAO-B inhibitors. Both the 8-sulfanylcaffeine and 8-sulfinylcaffeine analogues were found to be weak MAO-A inhibitors. This study also reports the MAO inhibition properties of selected 8-[(phenylpropyl) sulfanyl] caffeine analogues. (C) 2012 Elsevier Ltd. All rights reserved.
• [EN] NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS<br/>[FR] ANTAGONISTES DE RÉCEPTEUR 1 D'HORMONE DE CONCENTRATION DE MÉLANINE NON BASIQUE ET PROCÉDÉS
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2009009501A2

  公开（公告）日：2009-01-15

  The present application provides compounds, including all stereoisomers, solvates, prodrugs and pharmaceutically acceptable forms thereof according to Formula I, wherein, R1, R2, R3, R8, and R9 are defined herein. Additionally, the present application provides pharmaceutical compositions containing at least one compound according to Formula I and optionally at least one additional therapeutic agent. Finally, the present application provides methods for treating a patient suffering from an MCHR-1 modulated disease or disorder such as, for example, obesity, diabetes, depression or anxiety by administration of a therapeutically effective dose of a compound according to Formula I.
• Catalytic Asymmetric α‐Alkylsulfenylation with a Disulfide Reagent
  作者：Mingying Shi、Qi Zhang、Jiali Gao、Xueling Mi、Sanzhong Luo

  DOI：10.1002/anie.202209044

  日期：2022.9.26

  A disulfide-based alkylthio transfer reagent was developed for the asymmetric α-alkylsulfenylation of ketones and aldehydes, showing good activity and stereoselectivity when combined with primary amine organocatalysis.

  开发了一种基于二硫化物的烷硫基转移试剂，用于酮和醛的不对称 α-烷基亚磺酰化，与伯胺有机催化结合时表现出良好的活性和立体选择性。